issue contents

ISSN: 2053-2733

January 2016 issue

Highlighted illustration

Cover illustration: The many uses of the computer and computation in high-resolution transmission electron microscopy are reviewed in the lead article by E. J. Kirkland [(2016), Acta Cryst. A72, 1-27]. Shown here is a calculation of the imaginary part of a focused electron probe wave function in real space with multipole aberrations C56 = 10 mm and C34 = 0.001 mm (100 keV, 30 mrad, full scale 10 Å).


lead articles

Acta Cryst. (2016). A72, 1-27
doi: 10.1107/S205327331501757X
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The numerical computation of high-resolution transmission electron micrographs from first principles and its inverse are surveyed.


research papers

Acta Cryst. (2016). A72, 28-35
doi: 10.1107/S2053273315018318
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High-quality, high-resolution structure factors are obtained for silicon by synchrotron powder X-ray diffraction, where the estimated uncertainties are assessed based on sampling statistics contrary to the commonly used counting statistics. The quality and resolution of the data set enable an explicit modelling of both the valence and inner electron density.

Acta Cryst. (2016). A72, 36-49
doi: 10.1107/S2053273315019440
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The structure of ordered multiwalled coaxial and cylindrical scroll nanotubes is described on the basis of a primitive oblique cell and a cylindrical lattice. Coordinates of the atoms in the nanotube are achieved by the transfer of its bulk analogue structure onto a cylindrical surface with a circular or spiral cross section.

Acta Cryst. (2016). A72, 50-54
doi: 10.1107/S2053273315018975
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The diffraction from imperfect crystals and the applicability of kinematical theory are described.

Acta Cryst. (2016). A72, 55-61
doi: 10.1107/S2053273315018197
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The generalization of lattice invariance in merohedral twins to {\bb Z}-module invariance is discussed.

Acta Cryst. (2016). A72, 62-72
doi: 10.1107/S2053273315022457
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A method is developed to fit the position and orientation of molecules to the pair distribution function (PDF) starting from random values, opening the door towards the solution of crystal structures of poorly crystalline organic compounds by fitting to the PDF.

Acta Cryst. (2016). A72, 73-80
doi: 10.1107/S2053273315021725
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A table of geometrical ambiguities obtained by an exhaustive search is presented.

short communications

Acta Cryst. (2016). A72, 81-84
doi: 10.1107/S2053273315021865
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The symmetries of some crystal models published in 1783 by Romé de L'Isle are analysed. The models are shown to have the external symmetry of quasicrystals.

international union of crystallography

book reviews

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